Compound Identification
SMILES
NC1=C(CC(C2=CC=CC=C2)=C(O1)C#N)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=IFRXPOZDTIWHHX-UHFFFAOYSA-N
Formula
C19H13N3OS
Mass
331.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Pyrans Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Ketene acetal or derivatives - Nitrile - Carbonitrile - Azacycle - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available